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2-pyrrol-1-ylbenzoic acid

2-pyrrol-1-ylbenzoic acid

CAS: 10333-68-3

Formula: C11H9NO2

SMILES: OC(=O)C1=C(C=CC=C1)N1C=CC=C1

IUPAC: 2-(1H-pyrrol-1-yl)benzoic acid

InChI: InChI=1S/C11H9NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,(H,13,14)

Composition: C (70.58%), H (4.85%), N (7.48%), O (17.09%)

Molar Mass: 187.198

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 187.063328534
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GNWTWXOZRSBCOZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.07
Topological Polar Surface Area 42.23
Polarizability 20.63
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 10333-68-3 $23.76-$202.95$23.76$25.74$27.72$58.41$106.92$202.95
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